Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CFTR | P13569 | 10/20 | 0.72 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | HTR2A | P28223 | 1/20 | 0.34 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.34 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.34 |
| ▸ | THRA | P10827 | 1/20 | 0.34 |
| ▸ | THRB | P10828 | 1/20 | 0.34 |
| ▸ | ECE1 | P42892 | 2/20 | 0.33 |
| ▸ | KCNQ3 | O43525 | 1/20 | 0.33 |
| ▸ | KCNQ2 | O43526 | 1/20 | 0.33 |
| ▸ | KCNQ4 | P56696 | 1/20 | 0.33 |
| ▸ | KCNQ5 | Q9NR82 | 1/20 | 0.33 |
| ▸ | CNR1 | P21554 | 1/20 | 0.32 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL19753219 | 0.93 | CFTR (0.75) | CFTRNR1I2KMT2AHTR2APDE4D | |
| SCHEMBL19753122 | 0.92 | CFTR (0.69) | CFTRNR1I2KMT2AHTR2APDE4D | |
| SCHEMBL12827016 | 0.91 | CFTR (0.70) | CFTRNR1I2KDM4EHTR2APDE4D | |
| SCHEMBL13365163 | 0.91 | CFTR (0.77) | CFTRNR1I2KMT2AHTR2APDE4D | |
| SCHEMBL23506732 | 0.91 | CFTR (0.77) | CFTRNR1I2KMT2AKDM4EMEN1 | |
| SCHEMBL20194863 | 0.90 | CFTR (0.69) | CFTRNR1I2KMT2AALDH1A1KDM4E | |
| SCHEMBL14403579 | 0.90 | CFTR (0.73) | CFTRNR1I2KMT2AHTR2APDE4D | |
| SCHEMBL14403854 | 0.89 | CFTR (0.67) | CFTRNR1I2KMT2AKDM4EMEN1 | |
| SCHEMBL19752871 | 0.88 | CFTR (0.71) | CFTRNR1I2KMT2AALDH1A1KDM4E | |
| SCHEMBL17030587 | 0.87 | CFTR (0.70) | CFTRNR1I2NPC1ALDH1A1KDM4E |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3882245-A1 | MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | Vertex Pharmaceuticals Incorporated (US) | 2021-09-22 | — | — | EP | disclosed |
| EP-3327016-A1 | PREPARATION OF MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | Vertex Pharmaceuticals Incorporated (US) | 2018-05-30 | — | — | EP | disclosed |